N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H24ClNO2 — CID 104819146

IUPACN-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Cl)c1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-10-11-8-9-20-15(11)14-12(17)6-5-7-13(14)19-4/h5-7,11,15,18H,8-10H2,1-4H3
InChIKeyRJVMSFRPGZVPLX-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.81
Rot. Bonds4

About N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104819146) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104819146
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(Cl)c1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-10-11-8-9-20-15(11)14-12(17)6-5-7-13(14)19-4/h5-7,11,15,18H,8-10H2,1-4H3
InChIKeyRJVMSFRPGZVPLX-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149
N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368361
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368179
2-(2-chloro-6-methoxyphenyl)oxane-3-carboxylic acid
CID 104818912
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79364625
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 115530341
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 103292689
2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 104819146) is N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is COc1cccc(Cl)c1C1OCCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RJVMSFRPGZVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-16(2,3)18-10-11-8-9-20-15(11)14-12(17)6-5-7-13(14)19-4/h5-7,11,15,18H,8-10H2,1-4H3.
What are the key properties of N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104819146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).